Geometry & MOs

Info

ID:	299458
PubChem CID:	117683015
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	-10.78
Dipole, Da:	1.89
IP(EA), eV:	-8.76(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C[C@@H](CNC(=O)C3=NN=CC=C3)O

DOS

IR

Vibrations